⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28949638 | 0.78 | — | — | |
| SCHEMBL28047241 | 0.75 | NOS2 (0.33) | — | |
| SCHEMBL27896647 | 0.73 | SLC6A2 (0.31) | — | |
| SCHEMBL28805211 | 0.72 | ROCK2 (0.31) | — | |
| SCHEMBL28807139 | 0.71 | MGLL (0.31) | — | |
| SCHEMBL27915483 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL27518588 | 0.68 | MAPK1 (0.40) | — | |
| SCHEMBL28317417 | 0.66 | — | — | |
| SCHEMBL27933982 | 0.66 | LMNA (0.32) | — | |
| SCHEMBL28317490 | 0.66 | ANO1 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105452240-A | Heterocyclic derivates | KALVISTA PHARMACEUTICALS LTD | 2016-03-30 | — | — | CN | disclosed |